bromo-heptyl-propylphosphane

C20H44Br2P2 — CID 139995679

IUPACbromo-heptyl-propylphosphane
SMILESCCCCCCCP(Br)CCC.CCCCCCCP(Br)CCC
InChIInChI=1S/2C10H22BrP/c2*1-3-5-6-7-8-10-12(11)9-4-2/h2*3-10H2,1-2H3
InChIKeyOGZXVKRRYBDPEG-UHFFFAOYSA-N
MW506.33 g/mol
LogP10.32
Rot. Bonds16

About bromo-heptyl-propylphosphane

bromo-heptyl-propylphosphane (PubChem CID 139995679) has the molecular formula C20H44Br2P2 and a molecular weight of 506.33 g/mol. Its IUPAC name is bromo-heptyl-propylphosphane.

Molecular Properties

Compound Namebromo-heptyl-propylphosphane
PubChem CID139995679
Molecular FormulaC20H44Br2P2
Molecular Weight506.33 g/mol
Exact Mass504.13
IUPAC Namebromo-heptyl-propylphosphane
SMILESCCCCCCCP(Br)CCC.CCCCCCCP(Br)CCC
InChIInChI=1S/2C10H22BrP/c2*1-3-5-6-7-8-10-12(11)9-4-2/h2*3-10H2,1-2H3
InChIKeyOGZXVKRRYBDPEG-UHFFFAOYSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.33
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bromomethane;trioctylphosphane
CID 175266178
octacosane;sulfane
CID 157204687
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
bismuthane;trioctylphosphane
CID 174398286
dibutyl(decyl)phosphane
CID 171559269
chloro-hexyl-tetradecylphosphane
CID 141135276
heptyl(dimethyl)phosphane
CID 18386855
methyl-di(tetradecyl)phosphane
CID 89485367
dodecane;trioctylphosphane;dihydrobromide
CID 173344161
hexyl-methyl-octylphosphane
CID 22497581
diheptyl(methyl)phosphane
CID 22497718

Frequently Asked Questions

What is the IUPAC name of bromo-heptyl-propylphosphane?
The IUPAC name of bromo-heptyl-propylphosphane (CID 139995679) is bromo-heptyl-propylphosphane.
What is the SMILES notation for bromo-heptyl-propylphosphane?
The canonical SMILES for bromo-heptyl-propylphosphane is CCCCCCCP(Br)CCC.CCCCCCCP(Br)CCC.
What is the InChIKey of bromo-heptyl-propylphosphane?
The InChIKey is OGZXVKRRYBDPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22BrP/c2*1-3-5-6-7-8-10-12(11)9-4-2/h2*3-10H2,1-2H3.
What are the key properties of bromo-heptyl-propylphosphane?
bromo-heptyl-propylphosphane has a molecular weight of 506.33 g/mol, XLogP of 10.32, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-heptyl-propylphosphane is sourced from PubChem (CID 139995679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).